[3-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]methanol

C14H9ClF4O2 — CID 172653860

IUPAC[3-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]methanol
SMILESOCc1ccc(OC(F)(F)F)c(-c2cc(F)ccc2Cl)c1
InChIInChI=1S/C14H9ClF4O2/c15-12-3-2-9(16)6-10(12)11-5-8(7-20)1-4-13(11)21-14(17,18)19/h1-6,20H,7H2
InChIKeyQCKHSMDHOTVEDJ-UHFFFAOYSA-N
MW320.67 g/mol
LogP4.54
Rot. Bonds3

About [3-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]methanol

[3-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]methanol (PubChem CID 172653860) has the molecular formula C14H9ClF4O2 and a molecular weight of 320.67 g/mol. Its IUPAC name is [3-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]methanol
PubChem CID172653860
Molecular FormulaC14H9ClF4O2
Molecular Weight320.67 g/mol
Exact Mass320.02
IUPAC Name[3-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]methanol
SMILESOCc1ccc(OC(F)(F)F)c(-c2cc(F)ccc2Cl)c1
InChIInChI=1S/C14H9ClF4O2/c15-12-3-2-9(16)6-10(12)11-5-8(7-20)1-4-13(11)21-14(17,18)19/h1-6,20H,7H2
InChIKeyQCKHSMDHOTVEDJ-UHFFFAOYSA-N
XLogP4.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.67
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 172654217
[2-(2-chloro-5-fluorophenyl)-4-fluorophenyl]methanol
CID 172653766
[3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine
CID 172653869
4-fluoro-1-methoxy-2-[2-(trifluoromethoxy)phenyl]benzene
CID 134630084
2-chloro-4-fluoro-1-[3-methyl-4-(trifluoromethoxy)phenyl]benzene
CID 58902883
[3-(3-nitrophenyl)-4-(trifluoromethoxy)phenyl]methanol
CID 142704333
[2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 118802410
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
1-[2-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]-N-methylmethanamine
CID 172653781
[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
CID 642903
2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170892599
[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol
CID 122695284

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of [3-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]methanol (CID 172653860) is [3-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for [3-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for [3-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]methanol is OCc1ccc(OC(F)(F)F)c(-c2cc(F)ccc2Cl)c1.
What is the InChIKey of [3-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]methanol?
The InChIKey is QCKHSMDHOTVEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4O2/c15-12-3-2-9(16)6-10(12)11-5-8(7-20)1-4-13(11)21-14(17,18)19/h1-6,20H,7H2.
What are the key properties of [3-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]methanol?
[3-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]methanol has a molecular weight of 320.67 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 172653860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).